SCHEMBL17458668

SCHEMBL17458668

O=C(Cc1ccccc1)N[C@H]1CCOC1=O

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
CYP1A2 P05177 1/20 0.65
KMT2A Q03164 1/20 0.65

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19246202 1.00 MEN1 (0.65) MEN1CYP1A2KMT2A
SCHEMBL7099701 1.00 MEN1 (0.65) MEN1CYP1A2KMT2A
SCHEMBL21880677 0.92 MEN1 (0.58) MEN1KMT2A
SCHEMBL12150096 0.92 MEN1 (0.60) MEN1CYP1A2KMT2A
SCHEMBL12318199 0.92 MEN1 (0.60) MEN1CYP1A2KMT2A
SCHEMBL12270468 0.92 MEN1 (0.58) MEN1KMT2A
SCHEMBL12150142 0.92 MEN1 (0.60) MEN1CYP1A2KMT2A
SCHEMBL16579926 0.90
SCHEMBL12318387 0.90
SCHEMBL19518941 0.90

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411390-A1 MODULATION OF BACTERIAL QUORUM SENSING WITH SYNTHETIC LIGANDS WISCONSIN ALUMNI RES FOUND (US) 2022-12-29 US disclosed
US-20200115356-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands WISCONSIN ALUMNI RESEARCH FOUNDATION 2020-04-16 US disclosed
US-9796694-B2 Modulation of bacterial quorum sensing with synthetic ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-10-24 US disclosed
US-20170231962-A1 Compound Combinations for Attenuation of Bacterial Virulence NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-17 US disclosed
WO-2016013844-A1 PRODUCTION METHOD OF PHENYLACETYL HOMOSERINE LACTONE DERIVATIVE 한국생명공학연구원 2016-01-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170231962-A1 Compound Combinations for Attenuation of Bacterial Virulence PNISR, PGLS, QRFPR MEN1 3990/4885CYP1A2 4846/4885KMT2A 3286/4885
US-20200115356-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands AHCYL1, EBPL, AIP MEN1 4259/4885CYP1A2 3568/4885KMT2A 2147/4885
US-20220411390-A1 MODULATION OF BACTERIAL QUORUM SENSING WITH SYNTHETIC LIGANDS AHCYL1, EBPL, AIP MEN1 4259/4885CYP1A2 3568/4885KMT2A 2147/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.